[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate

C18H21N3O5 — CID 9199840

IUPAC[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
SMILESCCOc1ccc(OCCNC(=O)COC(=O)c2cnc(C)cn2)cc1
InChIInChI=1S/C18H21N3O5/c1-3-24-14-4-6-15(7-5-14)25-9-8-19-17(22)12-26-18(23)16-11-20-13(2)10-21-16/h4-7,10-11H,3,8-9,12H2,1-2H3,(H,19,22)
InChIKeyDFHDHIKDRUFHQW-UHFFFAOYSA-N
MW359.38 g/mol
LogP1.54
Rot. Bonds9

About [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate

[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate (PubChem CID 9199840) has the molecular formula C18H21N3O5 and a molecular weight of 359.38 g/mol. Its IUPAC name is [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
PubChem CID9199840
Molecular FormulaC18H21N3O5
Molecular Weight359.38 g/mol
Exact Mass359.15
IUPAC Name[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
SMILESCCOc1ccc(OCCNC(=O)COC(=O)c2cnc(C)cn2)cc1
InChIInChI=1S/C18H21N3O5/c1-3-24-14-4-6-15(7-5-14)25-9-8-19-17(22)12-26-18(23)16-11-20-13(2)10-21-16/h4-7,10-11H,3,8-9,12H2,1-2H3,(H,19,22)
InChIKeyDFHDHIKDRUFHQW-UHFFFAOYSA-N
XLogP1.54
TPSA99.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[2-[[2-(5-methylpyrazine-2-carbonyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 16524473
[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 7950221
[2-(2-cyanoethylamino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 8634410
[2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxoethyl] pyrazine-2-carboxylate
CID 9196636
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 27913717
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 2-cyclopentylacetate
CID 9202945
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 2-(trifluoromethyl)benzoate
CID 9009426
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2693222
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 27928826
[2-(4-butoxycarbonylanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2498078
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 7950190
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate
CID 8566911

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The IUPAC name of [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate (CID 9199840) is [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate.
What is the SMILES notation for [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The canonical SMILES for [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate is CCOc1ccc(OCCNC(=O)COC(=O)c2cnc(C)cn2)cc1.
What is the InChIKey of [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The InChIKey is DFHDHIKDRUFHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5/c1-3-24-14-4-6-15(7-5-14)25-9-8-19-17(22)12-26-18(23)16-11-20-13(2)10-21-16/h4-7,10-11H,3,8-9,12H2,1-2H3,(H,19,22).
What are the key properties of [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate has a molecular weight of 359.38 g/mol, XLogP of 1.54, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate is sourced from PubChem (CID 9199840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).